3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole

C19H15N3O — CID 134593682

IUPAC3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)c1
InChIInChI=1S/C19H15N3O/c1-14-5-4-6-16(13-14)18-20-19(23-21-18)15-7-9-17(10-8-15)22-11-2-3-12-22/h2-13H,1H3
InChIKeyDBVIEIOLYXDMSI-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.50
Rot. Bonds3

About 3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole

3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 134593682) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID134593682
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)c1
InChIInChI=1S/C19H15N3O/c1-14-5-4-6-16(13-14)18-20-19(23-21-18)15-7-9-17(10-8-15)22-11-2-3-12-22/h2-13H,1H3
InChIKeyDBVIEIOLYXDMSI-UHFFFAOYSA-N
XLogP4.50
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_G(4)', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
5-pyridin-3-yl-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916274
5-(4-ethoxyphenyl)-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916212
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62471073
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136908045
5-[4-[3,6-bis(3,6-dimethylcarbazol-9-yl)carbazol-9-yl]phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499416
5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035902
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole (CID 134593682) is 3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is DBVIEIOLYXDMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-14-5-4-6-16(13-14)18-20-19(23-21-18)15-7-9-17(10-8-15)22-11-2-3-12-22/h2-13H,1H3.
What are the key properties of 3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole?
3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 301.35 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 134593682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).